CID 54763716

C16H17N2O2 — CID 54763716

IUPAC—
SMILESCOC(=O)[C]1[CH][CH][CH][C]1c1ccccc1/N=C/N(C)C
InChIInChI=1S/C16H17N2O2/c1-18(2)11-17-15-10-5-4-7-13(15)12-8-6-9-14(12)16(19)20-3/h4-11H,1-3H3/b17-11+
InChIKeyBAGQPWPATGBOFK-GZTJUZNOSA-N
MW269.32 g/mol
LogP2.20
Rot. Bonds4

About CID 54763716

CID 54763716 (PubChem CID 54763716) has the molecular formula C16H17N2O2 and a molecular weight of 269.32 g/mol.

Molecular Properties

Compound NameCID 54763716
PubChem CID54763716
Molecular FormulaC16H17N2O2
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name—
SMILESCOC(=O)[C]1[CH][CH][CH][C]1c1ccccc1/N=C/N(C)C
InChIInChI=1S/C16H17N2O2/c1-18(2)11-17-15-10-5-4-7-13(15)12-8-6-9-14(12)16(19)20-3/h4-11H,1-3H3/b17-11+
InChIKeyBAGQPWPATGBOFK-GZTJUZNOSA-N
XLogP2.20
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 54763716?
The IUPAC name of CID 54763716 (CID 54763716) is not available.
What is the SMILES notation for CID 54763716?
The canonical SMILES for CID 54763716 is COC(=O)[C]1[CH][CH][CH][C]1c1ccccc1/N=C/N(C)C.
What is the InChIKey of CID 54763716?
The InChIKey is BAGQPWPATGBOFK-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N2O2/c1-18(2)11-17-15-10-5-4-7-13(15)12-8-6-9-14(12)16(19)20-3/h4-11H,1-3H3/b17-11+.
What are the key properties of CID 54763716?
CID 54763716 has a molecular weight of 269.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54763716 is sourced from PubChem (CID 54763716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).